Publications
Influence of Ethanol Parametrization on Diffusion Coefficients Using OPLS-AA Force Field
Zêzere, B; Fonseca, TVB; Portugal, I; Simoes, MMQ; Silva, CM; Gomes, JRB
2023, INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 24, 8.
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Diffusion coefficients of bioactive compounds in sub/supercritical CO2 and CO2/ethanol mixtures from molecular dynamics simulations
Zezere, B; Rios, WQ; Portugal, I; Silva, CM; Gomes, JRB
2023, JOURNAL OF MOLECULAR LIQUIDS, 384.
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Diffusivities of ketones and aldehydes in liquid ethanol by molecular dynamics simulations
Zêzere, B; Portugal, I; Silva, CM; Gomes, JRB
2023, JOURNAL OF MOLECULAR LIQUIDS, 371.
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Diffusivities of linear unsaturated ketones and aldehydes in compressed liquid ethanol
Zezere, B; Buchgeister, S; Faria, S; Portugal, I; Gomes, JRB; Silva, CM
2022, JOURNAL OF MOLECULAR LIQUIDS, 367.
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Modeling Tracer Diffusion Coefficients of Any Type of Solutes in Polar and Non-Polar Dense Solvents
Zezere, B; Portugal, I; Gomes, JRB; Silva, CM
2022, MATERIALS, 15, 18.
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Machine learning models for the prediction of diffusivities in supercritical CO2 systems
Aniceto, JPS; Zezere, B; Silva, CM
2021, JOURNAL OF MOLECULAR LIQUIDS, 326.
ISBN:
1873-3166
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Revisiting Tracer Liu-Silva-Macedo model for binary diffusion coefficient using the largest database of liquid and supercritical systems
Zezere, B; Portugal, I; Gomes, JRB; Silva, CM
2021, JOURNAL OF SUPERCRITICAL FLUIDS, 168.
ISBN:
1872-8162
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Predictive Models for the Binary Diffusion Coefficient at Infinite Dilution in Polar and Nonpolar Fluids
Aniceto, JPS; Zezere, B; Silva, CM
2021, MATERIALS, 14, 3.
ISBN:
1996-1944
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Diffusion of quercetin in compressed liquid ethyl acetate and ethanol
Zezere, B; Iglesias, J; Portugal, I; Gomes, JRB; Silva, CM
2021, JOURNAL OF MOLECULAR LIQUIDS, 324.
ISBN:
1873-3166
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Measurement of astaxanthin and squalene diffusivities in compressed liquid ethyl acetate by Taylor-Aris dispersion method
Bruno Zêzere, José M. Silva, Inês Portugal, José R. B. Gomes, Carlos M. Silva
2020, Separation and Purification Technology, 234.
ISBN:
1873-3794
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Diffusion coefficients of metal acetylacetonates in liquid ethanol and supercritical CO₂
B. Zêzere, A. L. Magalhães, I. Portugal, C.M. Silva
2018.
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New extension of the Liu-Silva-Macedo model to multicomponent Lennard-Jones intradiffusivities
Bruno Zêzere, Inês Portugal, Carlos Silva
2018.
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Experimental and modeled diffusivities of metal acetylacetonates in liquid ethanol, and comparative insights with their diffusivity in supercritical CO2
Bruno Zêzere, Inês Portugal, Carlos Silva
2018.
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Measurement of diffusion coefficients of lycopene and astaxanthin in compressed liquids
J. M. Silva, B. Zêzere, I. Portugal, C. M. Silva
2018.
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Chromatographic measurement of eucalyptol diffusivities in compressed fluids
B. Zêzere, I.S. Azenha, A.L. Magalhães, A. Mendes, C.M. Silva
2017.
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